BDBM50160105 2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinamide::CHEMBL181164

SMILES: CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(N)=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=NETQVEVBNHBPTM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160105   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50160105 (2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...) Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(N)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19Cl3N2O2/c1-2-3-10-29-22-18(21(26)28)12-17(13-4-6-14(23)7-5-13)20(27-22)16-9-8-15(24)11-19(16)25/h4-9,11-12H,2-3,10H2,1H3,(H2,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)				Bioorg Med Chem Lett 15: 645-51 (2005) Article DOI: 10.1016/j.bmcl.2004.11.031 BindingDB Entry DOI: 10.7270/Q2X929SW
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